Information card for entry 2016699

Structure parameters

• Chemical name: <i>N</i>-(3-bromopropyl)-4-piperidino-1,8-naphthalimide
• Formula: C20 H21 Br N2 O2
• Calculated formula: C20 H21 Br N2 O2
• SMILES: BrCCCN1C(=O)c2ccc(c3cccc(c23)C1=O)N1CCCCC1
• Title of publication: <i>N</i>-(2-Bromoethyl)-4-piperidino-1,8-naphthalimide and <i>N</i>-(3-bromopropyl)-4-piperidino-1,8-naphthalimide
• Authors of publication: Tagg, Tei; McAdam, C. John; Robinson, Brian H.; Simpson, Jim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o388 - o391
• a: 12.4165 ± 0.0003 Å
• b: 17.7709 ± 0.0005 Å
• c: 7.9618 ± 0.0002 Å
• α: 90°
• β: 94.569 ± 0.001°
• γ: 90°
• Cell volume: 1751.21 ± 0.08 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes